%chk=000088638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088638

0 1
 O  -0.7391000       2.527000     -3.9999999E-04
 N  -1.2900000E-02  0.2617000     -1.2000001E-03
 N   -4.191500     -0.4055000      2.6000000E-03
 N    1.544700       1.913300      1.9999999E-04
 C   -1.269300     -0.4452000     -2.2000000E-03
 C   -2.083400     -0.1203000      -1.256300    
 C   -2.078800     -0.1194000       1.254100    
 C   -3.459800     -0.7811000      -1.207700    
 C   -3.455800     -0.7793000       1.211000    
 C    1.258100     -0.3335000     -6.0000003E-04
 C   0.1404000       1.677000     -5.0000002E-04
 C    2.208100      0.6860000       0.000000    
 C    1.626600      -1.662700     -6.0000003E-04
 C    3.562100      0.4338000      7.9999998E-04
 C    2.996900      -1.944300       0.000000    
 C    3.953900     -0.9075000      6.9999998E-04
 H   -1.075600      -1.523900     -2.3000001E-03
 H   -1.544500     -0.4603000      -2.149200    
 H   -2.216800      0.9621000      -1.371800    
 H   -2.211800      0.9630000       1.369900    
 H   -1.537200     -0.4592000       2.145600    
 H   -4.042600     -0.4769000      -2.084100    
 H   -3.361600      -1.872200      -1.260000    
 H   -3.358000      -1.870400       1.264700    
 H   -4.035500     -0.4734000       2.088800    
 H   -4.333500      0.6050000      2.0999999E-03
 H    2.000000       2.817700      7.9999998E-04
 H   0.9075000      -2.472300     -1.1000000E-03
 H    4.295600       1.231100      1.5000000E-03
 H    3.332500      -2.978200       0.000000    
 H    5.011500      -1.158800      1.3000000E-03


%chk=000088638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088638

0 1
O -0.738721 2.574144 -0.000510
N 0.020675 0.284005 -0.000829
N -4.265898 -0.494946 0.001736
N 1.567048 1.915076 -0.000433
C -1.295768 -0.399054 0.000102
C -2.109164 -0.069411 -1.278258
C -2.107808 -0.068294 1.279031
C -3.489839 -0.784474 -1.227559
C -3.488544 -0.783378 1.230470
C 1.288298 -0.336981 -0.000868
C 0.168238 1.695381 -0.001426
C 2.273432 0.701158 -0.000620
C 1.670027 -1.690709 -0.000839
C 3.647380 0.410376 -0.000323
C 3.056510 -1.985854 -0.000699
C 4.028883 -0.954966 -0.000446
H -1.077139 -1.485843 0.000444
H -1.543782 -0.387034 -2.176065
H -2.252851 1.025373 -1.337057
H -2.251431 1.026545 1.337004
H -1.541470 -0.385117 2.176520
H -4.096620 -0.500016 -2.105989
H -3.339967 -1.882786 -1.278228
H -3.338608 -1.881646 1.281936
H -4.094403 -0.498162 2.109290
H -4.617402 0.473672 0.001489
H 1.956533 2.854738 0.000140
H 0.930368 -2.497283 -0.000940
H 4.400079 1.205450 -0.000022
H 3.379487 -3.032210 -0.000700
H 5.092656 -1.214452 -0.000250


